9,10-diaminocarbonyl-4-carbamimidoyl-3-(N,N-diphenylcarbamimidoyl)perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-4-carbamimidoyl-3-(N,N-diphenylcarbamimidoyl)perylene-1-carboxylic acid Openeye Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-(N,N-diphenylcarbamimidoyl)perylene-1-carboxylic acid CAS Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-[imino-(N-phenylanilino)methyl]-1-perylenecarboxylic acid IUPAC Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-(N,N-diphenylcarbamimidoyl)perylene-1-carboxylic acid Traditional Name: 4-amidino-9,10-dicarbamoyl-3-(N,N-diphenylamidino)perylene-1-carboxylic acid Formula: C37H26N6O4 MolecularWeight: 618.64014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=N)C3=CC(=C4C5=CC=C(C6=C(C=CC(=C56)C7=C4C3=C(C=C7)C(=N)N)C(=O)N)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=N)C3=CC(=C4C5=CC=C(C6=C(C=CC(=C56)C7=C4C3=C(C=C7)C(=N)N)C(=O)N)C(=O)N)C(=O)O

InChI

InChI=1S/C37H26N6O4/c38-33(39)23-14-11-21-20-12-15-24(35(41)44)31-25(36(42)45)16-13-22(28(20)31)29-27(37(46)47)17-26(30(23)32(21)29)34(40)43(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-17,40H,(H3,38,39)(H2,41,44)(H2,42,45)(H,46,47)